N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide

C20H20N4O4S2 — CID 27378040

IUPACN-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c1
InChIInChI=1S/C20H20N4O4S2/c1-13(25)21-15-4-3-5-16(10-15)22-19(26)11-17-12-29-20(24-17)23-14-6-8-18(9-7-14)30(2,27)28/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyDOSWTJNLUSENAG-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.43
Rot. Bonds7

About N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide

N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 27378040) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID27378040
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC NameN-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c1
InChIInChI=1S/C20H20N4O4S2/c1-13(25)21-15-4-3-5-16(10-15)22-19(26)11-17-12-29-20(24-17)23-14-6-8-18(9-7-14)30(2,27)28/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyDOSWTJNLUSENAG-UHFFFAOYSA-N
XLogP3.43
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942363
N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30860051
N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30941086
N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942320
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378029
N,N,4-trimethyl-2-[[2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 30942275
N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide
CID 30941849
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942245
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378023

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (CID 27378040) is N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1cccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is DOSWTJNLUSENAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-13(25)21-15-4-3-5-16(10-15)22-19(26)11-17-12-29-20(24-17)23-14-6-8-18(9-7-14)30(2,27)28/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27378040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).